methyl 2,2-diethyl-7-methoxy-3H-1-benzofuran-4-carboxylate

C15H20O4 — CID 22734147

IUPACmethyl 2,2-diethyl-7-methoxy-3H-1-benzofuran-4-carboxylate
SMILESCCC1(CC)Cc2c(C(=O)OC)ccc(OC)c2O1
InChIInChI=1S/C15H20O4/c1-5-15(6-2)9-11-10(14(16)18-4)7-8-12(17-3)13(11)19-15/h7-8H,5-6,9H2,1-4H3
InChIKeyRIEKUNSZSAGWMV-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.98
Rot. Bonds4

About methyl 2,2-diethyl-7-methoxy-3H-1-benzofuran-4-carboxylate

methyl 2,2-diethyl-7-methoxy-3H-1-benzofuran-4-carboxylate (PubChem CID 22734147) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2,2-diethyl-7-methoxy-3H-1-benzofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-diethyl-7-methoxy-3H-1-benzofuran-4-carboxylate
PubChem CID22734147
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namemethyl 2,2-diethyl-7-methoxy-3H-1-benzofuran-4-carboxylate
SMILESCCC1(CC)Cc2c(C(=O)OC)ccc(OC)c2O1
InChIInChI=1S/C15H20O4/c1-5-15(6-2)9-11-10(14(16)18-4)7-8-12(17-3)13(11)19-15/h7-8H,5-6,9H2,1-4H3
InChIKeyRIEKUNSZSAGWMV-UHFFFAOYSA-N
XLogP2.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-carboxylic acid
CID 23296063
methyl 7-methoxy-1,3-benzodioxole-4-carboxylate
CID 19967040
3,3-diethyloxetane;methyl 2,3-dihydroxy-4-methoxybenzoate;methyl 6-methoxyspiro[2,4-dihydro-1,5-benzodioxepine-3,3'-oxetane]-9-carboxylate
CID 158247613
methyl 2,3-dihydroxy-4-methoxybenzoate
CID 11694090
methyl 6'-methoxyspiro[1,3-dithiane-5,3'-2,4-dihydro-1,5-benzodioxepine]-9'-carboxylate
CID 59286717
methyl 2-cyano-3-ethyl-4-methoxybenzoate
CID 134614049
1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-one
CID 155429603
methyl 2-hydroxy-4-methoxy-3-propylbenzoate
CID 14719500
dimethyl 2-iodo-4-methoxybenzene-1,3-dicarboxylate
CID 121221218
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
CID 16637829
methyl 7-ethyl-2,3-dihydro-1H-indene-4-carboxylate
CID 166806898
methyl 2-cyano-3,4-dimethoxybenzoate
CID 134647076

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-diethyl-7-methoxy-3H-1-benzofuran-4-carboxylate?
The IUPAC name of methyl 2,2-diethyl-7-methoxy-3H-1-benzofuran-4-carboxylate (CID 22734147) is methyl 2,2-diethyl-7-methoxy-3H-1-benzofuran-4-carboxylate.
What is the SMILES notation for methyl 2,2-diethyl-7-methoxy-3H-1-benzofuran-4-carboxylate?
The canonical SMILES for methyl 2,2-diethyl-7-methoxy-3H-1-benzofuran-4-carboxylate is CCC1(CC)Cc2c(C(=O)OC)ccc(OC)c2O1.
What is the InChIKey of methyl 2,2-diethyl-7-methoxy-3H-1-benzofuran-4-carboxylate?
The InChIKey is RIEKUNSZSAGWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-5-15(6-2)9-11-10(14(16)18-4)7-8-12(17-3)13(11)19-15/h7-8H,5-6,9H2,1-4H3.
What are the key properties of methyl 2,2-diethyl-7-methoxy-3H-1-benzofuran-4-carboxylate?
methyl 2,2-diethyl-7-methoxy-3H-1-benzofuran-4-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-diethyl-7-methoxy-3H-1-benzofuran-4-carboxylate is sourced from PubChem (CID 22734147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).